2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C17H22N4O4S2 — CID 43008563

IUPAC2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H22N4O4S2/c1-3-21(9-15(22)18-8-13-5-4-6-27-13)17(24)11-26-10-16(23)19-14-7-12(2)25-20-14/h4-7H,3,8-11H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyYCXYVITXNNNJQE-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.88
Rot. Bonds10

About 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 43008563) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID43008563
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC Name2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H22N4O4S2/c1-3-21(9-15(22)18-8-13-5-4-6-27-13)17(24)11-26-10-16(23)19-14-7-12(2)25-20-14/h4-7H,3,8-11H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyYCXYVITXNNNJQE-UHFFFAOYSA-N
XLogP1.88
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 43008563) is 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)C(=O)CSCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YCXYVITXNNNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-3-21(9-15(22)18-8-13-5-4-6-27-13)17(24)11-26-10-16(23)19-14-7-12(2)25-20-14/h4-7H,3,8-11H2,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 43008563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).